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5-(4-dodecoxyphenyl)-2-undecylsulfanyl-pyrimidine

Systemtic Name:	5-(4-dodecoxyphenyl)-2-undecylsulfanyl-pyrimidine
Openeye Name:	5-(4-dodecoxyphenyl)-2-undecylsulfanyl-pyrimidine
CAS Name:	5-(4-dodecoxyphenyl)-2-(undecylthio)pyrimidine
IUPAC Name:	5-(4-dodecoxyphenyl)-2-undecylsulfanylpyrimidine
Traditional Name:	5-(4-lauryloxyphenyl)-2-(undecylthio)pyrimidine
Formula:	C₃₃H₅₄N₂OS
MolecularWeight:	526.85966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCCCCCC

InChI

InChI=1S/C33H54N2OS/c1-3-5-7-9-11-13-14-16-18-20-26-36-32-24-22-30(23-25-32)31-28-34-33(35-29-31)37-27-21-19-17-15-12-10-8-6-4-2/h22-25,28-29H,3-21,26-27H2,1-2H3

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